N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C58H38N2O — CID 168805504

IUPACN-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-12-39(13-4-1)40-22-28-45(29-23-40)59(47-32-34-48(35-33-47)60-55-21-10-9-18-51(55)52-36-26-43-16-7-8-17-49(43)57(52)60)46-30-24-41(25-31-46)44-27-37-56-54(38-44)53-20-11-19-50(58(53)61-56)42-14-5-2-6-15-42/h1-38H
InChIKeyIAGCKKANHKLFDS-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168805504) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
PubChem CID168805504
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-12-39(13-4-1)40-22-28-45(29-23-40)59(47-32-34-48(35-33-47)60-55-21-10-9-18-51(55)52-36-26-43-16-7-8-17-49(43)57(52)60)46-30-24-41(25-31-46)44-27-37-56-54(38-44)53-20-11-19-50(58(53)61-56)42-14-5-2-6-15-42/h1-38H
InChIKeyIAGCKKANHKLFDS-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804792
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The IUPAC name of N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168805504) is N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc2)cc1.
What is the InChIKey of N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The InChIKey is IAGCKKANHKLFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-12-39(13-4-1)40-22-28-45(29-23-40)59(47-32-34-48(35-33-47)60-55-21-10-9-18-51(55)52-36-26-43-16-7-8-17-49(43)57(52)60)46-30-24-41(25-31-46)44-27-37-56-54(38-44)53-20-11-19-50(58(53)61-56)42-14-5-2-6-15-42/h1-38H.
What are the key properties of N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168805504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).